dl-penicillamine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:52-66-4

mdl number:mfcd00004856

einecs number:200-147-2

rtecs number:yv9445000

brn number:2039817

pubchem number:24898596

physical property data

1. properties: white to off-white crystalline powder

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g /ml, air=1): undetermined

4. melting point (ºc): 208-212

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): 169℃ (756mmhg)

7. refractive index: 1.5310

8. flash point (ºc): 73

9. specific rotation (º, c=1, sodium hydroxide): -1~1

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): 1.68mpa

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol ): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (polymer) log value of the partition coefficient (alcohol/water): undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v ): undetermined

19. solubility: undetermined.

toxicological data

1. acute toxicity: rat oral ld50: 365mg/kg; rat intravenous ld50: 209mg/kg; mouse intraperitoneal ld50: 358mg/kg

ecological data

none yet

molecular structure data

1. molar refractive index: 38.13

2. molar volume (cm³/mol): 123.8

3. isotonic specific volume (90.2k ): 326.2

4. surface tension (dyne/cm): 48.1

5. polarizability (10-24cm3): 15.11

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 64.3

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 124

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters.quantity: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be sealed and stored dry at 4°c.

synthesis method

none yet

purpose

biochemical research. used as a copper ion chelator in wilson’s disease. antirheumatic drugs.

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